5-fluoro-N-(4-methylpentyl)-2,4-dioxo-1H-pyrimidine-3-carboxamide

C11H16FN3O3 — CID 68650562

IUPAC5-fluoro-N-(4-methylpentyl)-2,4-dioxo-1H-pyrimidine-3-carboxamide
SMILESCC(C)CCCNC(=O)n1c(=O)[nH]cc(F)c1=O
InChIInChI=1S/C11H16FN3O3/c1-7(2)4-3-5-13-10(17)15-9(16)8(12)6-14-11(15)18/h6-7H,3-5H2,1-2H3,(H,13,17)(H,14,18)
InChIKeyASJKSWFDYAEUNH-UHFFFAOYSA-N
MW257.26 g/mol
LogP0.67
Rot. Bonds4

About 5-fluoro-N-(4-methylpentyl)-2,4-dioxo-1H-pyrimidine-3-carboxamide

5-fluoro-N-(4-methylpentyl)-2,4-dioxo-1H-pyrimidine-3-carboxamide (PubChem CID 68650562) has the molecular formula C11H16FN3O3 and a molecular weight of 257.26 g/mol. Its IUPAC name is 5-fluoro-N-(4-methylpentyl)-2,4-dioxo-1H-pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-(4-methylpentyl)-2,4-dioxo-1H-pyrimidine-3-carboxamide
PubChem CID68650562
Molecular FormulaC11H16FN3O3
Molecular Weight257.26 g/mol
Exact Mass257.12
IUPAC Name5-fluoro-N-(4-methylpentyl)-2,4-dioxo-1H-pyrimidine-3-carboxamide
SMILESCC(C)CCCNC(=O)n1c(=O)[nH]cc(F)c1=O
InChIInChI=1S/C11H16FN3O3/c1-7(2)4-3-5-13-10(17)15-9(16)8(12)6-14-11(15)18/h6-7H,3-5H2,1-2H3,(H,13,17)(H,14,18)
InChIKeyASJKSWFDYAEUNH-UHFFFAOYSA-N
XLogP0.67
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(4-methylpentyl)-2,4-dioxo-1H-pyrimidine-3-carboxamide?
The IUPAC name of 5-fluoro-N-(4-methylpentyl)-2,4-dioxo-1H-pyrimidine-3-carboxamide (CID 68650562) is 5-fluoro-N-(4-methylpentyl)-2,4-dioxo-1H-pyrimidine-3-carboxamide.
What is the SMILES notation for 5-fluoro-N-(4-methylpentyl)-2,4-dioxo-1H-pyrimidine-3-carboxamide?
The canonical SMILES for 5-fluoro-N-(4-methylpentyl)-2,4-dioxo-1H-pyrimidine-3-carboxamide is CC(C)CCCNC(=O)n1c(=O)[nH]cc(F)c1=O.
What is the InChIKey of 5-fluoro-N-(4-methylpentyl)-2,4-dioxo-1H-pyrimidine-3-carboxamide?
The InChIKey is ASJKSWFDYAEUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O3/c1-7(2)4-3-5-13-10(17)15-9(16)8(12)6-14-11(15)18/h6-7H,3-5H2,1-2H3,(H,13,17)(H,14,18).
What are the key properties of 5-fluoro-N-(4-methylpentyl)-2,4-dioxo-1H-pyrimidine-3-carboxamide?
5-fluoro-N-(4-methylpentyl)-2,4-dioxo-1H-pyrimidine-3-carboxamide has a molecular weight of 257.26 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(4-methylpentyl)-2,4-dioxo-1H-pyrimidine-3-carboxamide is sourced from PubChem (CID 68650562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).